2,3-difluoro-N-(4-methylcycloheptyl)benzamide

C15H19F2NO — CID 102795195

IUPAC2,3-difluoro-N-(4-methylcycloheptyl)benzamide
SMILESCC1CCCC(NC(=O)c2cccc(F)c2F)CC1
InChIInChI=1S/C15H19F2NO/c1-10-4-2-5-11(9-8-10)18-15(19)12-6-3-7-13(16)14(12)17/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,18,19)
InChIKeyYCKOWZMRAFRMHG-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.66
Rot. Bonds2

About 2,3-difluoro-N-(4-methylcycloheptyl)benzamide

2,3-difluoro-N-(4-methylcycloheptyl)benzamide (PubChem CID 102795195) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2,3-difluoro-N-(4-methylcycloheptyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(4-methylcycloheptyl)benzamide
PubChem CID102795195
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2,3-difluoro-N-(4-methylcycloheptyl)benzamide
SMILESCC1CCCC(NC(=O)c2cccc(F)c2F)CC1
InChIInChI=1S/C15H19F2NO/c1-10-4-2-5-11(9-8-10)18-15(19)12-6-3-7-13(16)14(12)17/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,18,19)
InChIKeyYCKOWZMRAFRMHG-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide
CID 114100333
2-(ethylamino)-3-fluoro-N-(4-methylcyclohexyl)benzamide
CID 62650059
2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102796878
2,3-difluoro-N-(thian-4-yl)benzamide
CID 115605205
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
N-[3-(bromomethyl)cyclohexyl]-2,3-difluorobenzamide
CID 112752885
3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
CID 114550116

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(4-methylcycloheptyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(4-methylcycloheptyl)benzamide (CID 102795195) is 2,3-difluoro-N-(4-methylcycloheptyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(4-methylcycloheptyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(4-methylcycloheptyl)benzamide is CC1CCCC(NC(=O)c2cccc(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-N-(4-methylcycloheptyl)benzamide?
The InChIKey is YCKOWZMRAFRMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-10-4-2-5-11(9-8-10)18-15(19)12-6-3-7-13(16)14(12)17/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,18,19).
What are the key properties of 2,3-difluoro-N-(4-methylcycloheptyl)benzamide?
2,3-difluoro-N-(4-methylcycloheptyl)benzamide has a molecular weight of 267.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(4-methylcycloheptyl)benzamide is sourced from PubChem (CID 102795195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).